ChemSpider 2D Image | (2alpha,3beta,5alpha,6beta,11alpha)-2,3,5,6,9-Pentahydroxycholest-7-en-11-yl acetate | C29H48O7

(2α,3β,5α,6β,11α)-2,3,5,6,9-Pentahydroxycholest-7-en-11-yl acetate

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID29216216
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2α,3β,5α,6β,11α)-2,3,5,6,9-Pentahydroxycholest-7-en-11-yl acetate [ACD/IUPAC Name]
(2α,3β,5α,6β,11α)-2,3,5,6,9-Pentahydroxycholest-7-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3β,5α,6β,11α)-2,3,5,6,9-pentahydroxycholest-7-én-11-yle [French] [ACD/IUPAC Name]
Cholest-7-ene-2,3,5,6,9,11-hexol, 11-acetate, (2α,3β,5α,6β,11α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 189.8±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.54
ACD/KOC (pH 5.5): 2960.52
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.54
ACD/KOC (pH 7.4): 2960.50
Polar Surface Area: 127 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

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